2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

C18H21N3O2 — CID 136737625

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2CCc3ccccc32)cc(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-12-20-15(11-18(23)21-12)8-9-19-17(22)10-14-7-6-13-4-2-3-5-16(13)14/h2-5,11,14H,6-10H2,1H3,(H,19,22)(H,20,21,23)/t14-/m1/s1
InChIKeyGQUPFEOVGCCLEF-CQSZACIVSA-N
MW311.39 g/mol
LogP1.86
Rot. Bonds5

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 136737625) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
PubChem CID136737625
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C[C@H]2CCc3ccccc32)cc(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-12-20-15(11-18(23)21-12)8-9-19-17(22)10-14-7-6-13-4-2-3-5-16(13)14/h2-5,11,14H,6-10H2,1H3,(H,19,22)(H,20,21,23)/t14-/m1/s1
InChIKeyGQUPFEOVGCCLEF-CQSZACIVSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (CID 136737625) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)C[C@H]2CCc3ccccc32)cc(=O)[nH]1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The InChIKey is GQUPFEOVGCCLEF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-20-15(11-18(23)21-12)8-9-19-17(22)10-14-7-6-13-4-2-3-5-16(13)14/h2-5,11,14H,6-10H2,1H3,(H,19,22)(H,20,21,23)/t14-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 136737625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).